1-(diethylamino)-4-methylhexan-3-one

C11H23NO — CID 79446320

IUPAC1-(diethylamino)-4-methylhexan-3-one
SMILESCCC(C)C(=O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-10(4)11(13)8-9-12(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyGPMFIKVDZKVTPM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds7

About 1-(diethylamino)-4-methylhexan-3-one

1-(diethylamino)-4-methylhexan-3-one (PubChem CID 79446320) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(diethylamino)-4-methylhexan-3-one.

Molecular Properties

Compound Name1-(diethylamino)-4-methylhexan-3-one
PubChem CID79446320
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(diethylamino)-4-methylhexan-3-one
SMILESCCC(C)C(=O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-10(4)11(13)8-9-12(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyGPMFIKVDZKVTPM-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-oxoheptanoic acid
CID 21365481
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
2-[ethyl-(3-methyl-2-oxopentyl)amino]acetamide
CID 103103137
15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613
1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
CID 134294536
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-(diethylamino)propanoyl fluoride
CID 139607789
diiminoazanium;3-methylheptan-4-one
CID 175383752
3,7,7-trimethyloctan-4-one
CID 63717585
2,19-dimethylhenicosane-3,18-dione
CID 138498522
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-4-methylhexan-3-one?
The IUPAC name of 1-(diethylamino)-4-methylhexan-3-one (CID 79446320) is 1-(diethylamino)-4-methylhexan-3-one.
What is the SMILES notation for 1-(diethylamino)-4-methylhexan-3-one?
The canonical SMILES for 1-(diethylamino)-4-methylhexan-3-one is CCC(C)C(=O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)-4-methylhexan-3-one?
The InChIKey is GPMFIKVDZKVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(4)11(13)8-9-12(6-2)7-3/h10H,5-9H2,1-4H3.
What are the key properties of 1-(diethylamino)-4-methylhexan-3-one?
1-(diethylamino)-4-methylhexan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4-methylhexan-3-one is sourced from PubChem (CID 79446320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).